USER MOD reduce.3.24.130724 H: found=0, std=0, add=553, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 554 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 CYS SG : rot 159:sc= -4.59! USER MOD Set 1.2: A 26 HIS : no HE2:sc= -0.327 K(o=-4.9,f=-5.7) USER MOD Single : A 11 THR OG1 : rot 24:sc= 0.219 USER MOD Single : A 14 SER OG : rot 180:sc= -2.02 USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.604 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.0232 USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.0454 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot -179:sc= -2.98! USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0.0507 USER MOD Single : A 60 HIS : no HE2:sc= 1.2 K(o=1.2,f=-4.2!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc=-0.00805 USER MOD Single : A 73 HIS : no HE2:sc= -2.82 K(o=-2.8,f=-5.3!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 60:sc= 0.675 USER MOD Single : A 81 THR OG1 : rot 75:sc= 0.367 USER MOD ----------------------------------------------------------------- ATOM 136 N THR A 11 4.713 -12.988 -2.111 1.00 0.00 N ATOM 137 CA THR A 11 5.198 -13.167 -0.736 1.00 0.00 C ATOM 138 C THR A 11 5.062 -11.864 0.045 1.00 0.00 C ATOM 139 O THR A 11 5.078 -10.776 -0.527 1.00 0.00 O ATOM 140 CB THR A 11 6.667 -13.595 -0.757 1.00 0.00 C ATOM 141 OG1 THR A 11 6.821 -14.717 -1.613 1.00 0.00 O ATOM 142 CG2 THR A 11 7.125 -13.961 0.655 1.00 0.00 C ATOM 0 HA THR A 11 4.599 -13.938 -0.251 1.00 0.00 H new ATOM 0 HB THR A 11 7.275 -12.769 -1.125 1.00 0.00 H new ATOM 0 HG1 THR A 11 6.095 -14.728 -2.272 1.00 0.00 H new ATOM 0 HG21 THR A 11 8.172 -14.264 0.631 1.00 0.00 H new ATOM 0 HG22 THR A 11 7.013 -13.097 1.309 1.00 0.00 H new ATOM 0 HG23 THR A 11 6.517 -14.783 1.033 1.00 0.00 H new ATOM 150 N LEU A 12 4.914 -11.990 1.353 1.00 0.00 N ATOM 151 CA LEU A 12 4.753 -10.825 2.216 1.00 0.00 C ATOM 152 C LEU A 12 5.807 -9.773 1.900 1.00 0.00 C ATOM 153 O LEU A 12 5.530 -8.573 1.934 1.00 0.00 O ATOM 154 CB LEU A 12 4.895 -11.238 3.683 1.00 0.00 C ATOM 155 CG LEU A 12 3.659 -12.018 4.130 1.00 0.00 C ATOM 156 CD1 LEU A 12 3.578 -13.358 3.379 1.00 0.00 C ATOM 157 CD2 LEU A 12 3.747 -12.276 5.636 1.00 0.00 C ATOM 0 H LEU A 12 4.902 -12.885 1.843 1.00 0.00 H new ATOM 0 HA LEU A 12 3.762 -10.407 2.040 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.788 -11.850 3.812 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.022 -10.354 4.307 1.00 0.00 H new ATOM 0 HG LEU A 12 2.765 -11.436 3.907 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.694 -13.905 3.705 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.514 -13.171 2.307 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.469 -13.949 3.592 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.868 -12.832 5.962 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.644 -12.855 5.854 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.791 -11.325 6.166 1.00 0.00 H new ATOM 169 N ASP A 13 7.014 -10.227 1.604 1.00 0.00 N ATOM 170 CA ASP A 13 8.091 -9.301 1.295 1.00 0.00 C ATOM 171 C ASP A 13 7.814 -8.568 -0.005 1.00 0.00 C ATOM 172 O ASP A 13 8.080 -7.379 -0.103 1.00 0.00 O ATOM 173 CB ASP A 13 9.431 -10.023 1.166 1.00 0.00 C ATOM 174 CG ASP A 13 9.550 -11.097 2.243 1.00 0.00 C ATOM 175 OD1 ASP A 13 9.333 -10.775 3.400 1.00 0.00 O ATOM 176 OD2 ASP A 13 9.851 -12.227 1.894 1.00 0.00 O ATOM 0 H ASP A 13 7.270 -11.214 1.571 1.00 0.00 H new ATOM 0 HA ASP A 13 8.143 -8.591 2.120 1.00 0.00 H new ATOM 0 HB2 ASP A 13 9.516 -10.476 0.178 1.00 0.00 H new ATOM 0 HB3 ASP A 13 10.249 -9.309 1.261 1.00 0.00 H new ATOM 181 N SER A 14 7.282 -9.274 -1.007 1.00 0.00 N ATOM 182 CA SER A 14 7.006 -8.638 -2.286 1.00 0.00 C ATOM 183 C SER A 14 5.919 -7.587 -2.144 1.00 0.00 C ATOM 184 O SER A 14 5.967 -6.541 -2.798 1.00 0.00 O ATOM 185 CB SER A 14 6.619 -9.684 -3.338 1.00 0.00 C ATOM 186 OG SER A 14 5.278 -9.477 -3.771 1.00 0.00 O ATOM 0 H SER A 14 7.040 -10.264 -0.955 1.00 0.00 H new ATOM 0 HA SER A 14 7.915 -8.139 -2.621 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.297 -9.622 -4.189 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.723 -10.685 -2.920 1.00 0.00 H new ATOM 0 HG SER A 14 5.044 -10.150 -4.444 1.00 0.00 H new ATOM 192 N LEU A 15 4.924 -7.843 -1.311 1.00 0.00 N ATOM 193 CA LEU A 15 3.873 -6.865 -1.148 1.00 0.00 C ATOM 194 C LEU A 15 4.395 -5.707 -0.293 1.00 0.00 C ATOM 195 O LEU A 15 4.520 -4.582 -0.771 1.00 0.00 O ATOM 196 CB LEU A 15 2.612 -7.499 -0.524 1.00 0.00 C ATOM 197 CG LEU A 15 1.951 -8.559 -1.462 1.00 0.00 C ATOM 198 CD1 LEU A 15 2.899 -9.141 -2.528 1.00 0.00 C ATOM 199 CD2 LEU A 15 1.438 -9.731 -0.613 1.00 0.00 C ATOM 0 H LEU A 15 4.826 -8.693 -0.755 1.00 0.00 H new ATOM 0 HA LEU A 15 3.584 -6.483 -2.127 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.876 -7.970 0.423 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.888 -6.716 -0.299 1.00 0.00 H new ATOM 0 HG LEU A 15 1.152 -8.034 -1.986 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.361 -9.868 -3.136 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.267 -8.337 -3.165 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.741 -9.630 -2.038 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.975 -10.475 -1.262 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.272 -10.185 -0.078 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.702 -9.366 0.104 1.00 0.00 H new ATOM 211 N ARG A 16 4.699 -5.984 0.967 1.00 0.00 N ATOM 212 CA ARG A 16 5.187 -4.934 1.874 1.00 0.00 C ATOM 213 C ARG A 16 6.105 -3.956 1.131 1.00 0.00 C ATOM 214 O ARG A 16 5.891 -2.732 1.160 1.00 0.00 O ATOM 215 CB ARG A 16 5.949 -5.570 3.048 1.00 0.00 C ATOM 216 CG ARG A 16 6.638 -4.480 3.914 1.00 0.00 C ATOM 217 CD ARG A 16 8.115 -4.318 3.519 1.00 0.00 C ATOM 218 NE ARG A 16 8.768 -3.397 4.438 1.00 0.00 N ATOM 219 CZ ARG A 16 9.220 -3.809 5.615 1.00 0.00 C ATOM 220 NH1 ARG A 16 9.093 -5.062 5.961 1.00 0.00 N ATOM 221 NH2 ARG A 16 9.785 -2.961 6.425 1.00 0.00 N ATOM 0 H ARG A 16 4.621 -6.910 1.388 1.00 0.00 H new ATOM 0 HA ARG A 16 4.328 -4.382 2.254 1.00 0.00 H new ATOM 0 HB2 ARG A 16 5.260 -6.148 3.664 1.00 0.00 H new ATOM 0 HB3 ARG A 16 6.697 -6.265 2.668 1.00 0.00 H new ATOM 0 HG2 ARG A 16 6.118 -3.530 3.791 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.567 -4.748 4.968 1.00 0.00 H new ATOM 0 HD2 ARG A 16 8.616 -5.286 3.541 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.190 -3.943 2.498 1.00 0.00 H new ATOM 0 HE ARG A 16 8.880 -2.419 4.172 1.00 0.00 H new ATOM 0 HH11 ARG A 16 8.646 -5.724 5.326 1.00 0.00 H new ATOM 0 HH12 ARG A 16 9.441 -5.379 6.866 1.00 0.00 H new ATOM 0 HH21 ARG A 16 9.879 -1.982 6.154 1.00 0.00 H new ATOM 0 HH22 ARG A 16 10.133 -3.275 7.331 1.00 0.00 H new ATOM 235 N VAL A 17 7.110 -4.499 0.444 1.00 0.00 N ATOM 236 CA VAL A 17 8.033 -3.665 -0.316 1.00 0.00 C ATOM 237 C VAL A 17 7.252 -2.894 -1.400 1.00 0.00 C ATOM 238 O VAL A 17 7.530 -1.726 -1.646 1.00 0.00 O ATOM 239 CB VAL A 17 9.122 -4.537 -0.966 1.00 0.00 C ATOM 240 CG1 VAL A 17 9.839 -5.415 0.097 1.00 0.00 C ATOM 241 CG2 VAL A 17 8.452 -5.419 -2.004 1.00 0.00 C ATOM 0 H VAL A 17 7.302 -5.500 0.399 1.00 0.00 H new ATOM 0 HA VAL A 17 8.514 -2.954 0.356 1.00 0.00 H new ATOM 0 HB VAL A 17 9.876 -3.901 -1.430 1.00 0.00 H new ATOM 0 HG11 VAL A 17 10.604 -6.022 -0.388 1.00 0.00 H new ATOM 0 HG12 VAL A 17 10.305 -4.773 0.845 1.00 0.00 H new ATOM 0 HG13 VAL A 17 9.112 -6.067 0.581 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.201 -6.050 -2.483 1.00 0.00 H new ATOM 0 HG22 VAL A 17 7.704 -6.047 -1.520 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.970 -4.794 -2.756 1.00 0.00 H new ATOM 251 N TRP A 18 6.265 -3.552 -2.046 1.00 0.00 N ATOM 252 CA TRP A 18 5.466 -2.878 -3.093 1.00 0.00 C ATOM 253 C TRP A 18 4.819 -1.599 -2.552 1.00 0.00 C ATOM 254 O TRP A 18 4.919 -0.538 -3.161 1.00 0.00 O ATOM 255 CB TRP A 18 4.353 -3.836 -3.650 1.00 0.00 C ATOM 256 CG TRP A 18 2.955 -3.377 -3.247 1.00 0.00 C ATOM 257 CD1 TRP A 18 2.209 -3.882 -2.222 1.00 0.00 C ATOM 258 CD2 TRP A 18 2.128 -2.331 -3.842 1.00 0.00 C ATOM 259 NE1 TRP A 18 1.028 -3.200 -2.137 1.00 0.00 N ATOM 260 CE2 TRP A 18 0.923 -2.244 -3.105 1.00 0.00 C ATOM 261 CE3 TRP A 18 2.294 -1.450 -4.928 1.00 0.00 C ATOM 262 CZ2 TRP A 18 -0.060 -1.332 -3.416 1.00 0.00 C ATOM 263 CZ3 TRP A 18 1.287 -0.532 -5.246 1.00 0.00 C ATOM 264 CH2 TRP A 18 0.115 -0.481 -4.485 1.00 0.00 C ATOM 0 H TRP A 18 6.007 -4.523 -1.868 1.00 0.00 H new ATOM 0 HA TRP A 18 6.145 -2.613 -3.904 1.00 0.00 H new ATOM 0 HB2 TRP A 18 4.422 -3.879 -4.737 1.00 0.00 H new ATOM 0 HB3 TRP A 18 4.525 -4.846 -3.279 1.00 0.00 H new ATOM 0 HD1 TRP A 18 2.506 -4.696 -1.577 1.00 0.00 H new ATOM 0 HE1 TRP A 18 0.311 -3.383 -1.435 1.00 0.00 H new ATOM 0 HE3 TRP A 18 3.199 -1.483 -5.516 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -0.963 -1.284 -2.825 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 1.415 0.139 -6.082 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -0.658 0.230 -4.737 1.00 0.00 H new ATOM 275 N LEU A 19 4.148 -1.731 -1.414 1.00 0.00 N ATOM 276 CA LEU A 19 3.449 -0.605 -0.791 1.00 0.00 C ATOM 277 C LEU A 19 4.390 0.563 -0.535 1.00 0.00 C ATOM 278 O LEU A 19 4.171 1.663 -1.049 1.00 0.00 O ATOM 279 CB LEU A 19 2.820 -1.095 0.536 1.00 0.00 C ATOM 280 CG LEU A 19 1.278 -1.280 0.404 1.00 0.00 C ATOM 281 CD1 LEU A 19 0.841 -2.562 1.104 1.00 0.00 C ATOM 282 CD2 LEU A 19 0.551 -0.071 1.024 1.00 0.00 C ATOM 0 H LEU A 19 4.071 -2.608 -0.900 1.00 0.00 H new ATOM 0 HA LEU A 19 2.672 -0.247 -1.467 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.277 -2.040 0.829 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.035 -0.378 1.328 1.00 0.00 H new ATOM 0 HG LEU A 19 1.020 -1.350 -0.653 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.238 -2.681 1.005 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.343 -3.415 0.648 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.105 -2.508 2.160 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.526 -0.206 0.929 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.815 0.010 2.079 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.850 0.839 0.504 1.00 0.00 H new ATOM 294 N VAL A 20 5.430 0.339 0.250 1.00 0.00 N ATOM 295 CA VAL A 20 6.364 1.415 0.545 1.00 0.00 C ATOM 296 C VAL A 20 6.986 1.950 -0.734 1.00 0.00 C ATOM 297 O VAL A 20 7.053 3.160 -0.943 1.00 0.00 O ATOM 298 CB VAL A 20 7.450 0.893 1.483 1.00 0.00 C ATOM 299 CG1 VAL A 20 8.098 -0.355 0.874 1.00 0.00 C ATOM 300 CG2 VAL A 20 8.512 1.970 1.687 1.00 0.00 C ATOM 0 H VAL A 20 5.648 -0.557 0.687 1.00 0.00 H new ATOM 0 HA VAL A 20 5.828 2.232 1.027 1.00 0.00 H new ATOM 0 HB VAL A 20 7.004 0.638 2.444 1.00 0.00 H new ATOM 0 HG11 VAL A 20 8.873 -0.727 1.544 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.341 -1.126 0.732 1.00 0.00 H new ATOM 0 HG13 VAL A 20 8.542 -0.101 -0.089 1.00 0.00 H new ATOM 0 HG21 VAL A 20 9.286 1.595 2.357 1.00 0.00 H new ATOM 0 HG22 VAL A 20 8.957 2.228 0.726 1.00 0.00 H new ATOM 0 HG23 VAL A 20 8.052 2.856 2.124 1.00 0.00 H new ATOM 310 N ASP A 21 7.462 1.051 -1.577 1.00 0.00 N ATOM 311 CA ASP A 21 8.095 1.465 -2.812 1.00 0.00 C ATOM 312 C ASP A 21 7.118 2.264 -3.668 1.00 0.00 C ATOM 313 O ASP A 21 7.511 3.209 -4.360 1.00 0.00 O ATOM 314 CB ASP A 21 8.577 0.229 -3.573 1.00 0.00 C ATOM 315 CG ASP A 21 9.808 -0.361 -2.894 1.00 0.00 C ATOM 316 OD1 ASP A 21 10.354 0.296 -2.024 1.00 0.00 O ATOM 317 OD2 ASP A 21 10.185 -1.463 -3.256 1.00 0.00 O ATOM 0 H ASP A 21 7.423 0.042 -1.430 1.00 0.00 H new ATOM 0 HA ASP A 21 8.948 2.103 -2.581 1.00 0.00 H new ATOM 0 HB2 ASP A 21 7.782 -0.516 -3.612 1.00 0.00 H new ATOM 0 HB3 ASP A 21 8.814 0.496 -4.603 1.00 0.00 H new ATOM 322 N CYS A 22 5.841 1.901 -3.603 1.00 0.00 N ATOM 323 CA CYS A 22 4.828 2.614 -4.370 1.00 0.00 C ATOM 324 C CYS A 22 4.720 4.061 -3.906 1.00 0.00 C ATOM 325 O CYS A 22 4.683 4.980 -4.724 1.00 0.00 O ATOM 326 CB CYS A 22 3.459 1.946 -4.238 1.00 0.00 C ATOM 327 SG CYS A 22 2.385 2.562 -5.555 1.00 0.00 S ATOM 0 H CYS A 22 5.488 1.130 -3.037 1.00 0.00 H new ATOM 0 HA CYS A 22 5.137 2.587 -5.415 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.559 0.863 -4.307 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.024 2.164 -3.263 1.00 0.00 H new ATOM 0 HG CYS A 22 1.407 1.726 -5.744 1.00 0.00 H new ATOM 333 N VAL A 23 4.677 4.267 -2.591 1.00 0.00 N ATOM 334 CA VAL A 23 4.580 5.624 -2.067 1.00 0.00 C ATOM 335 C VAL A 23 5.834 6.415 -2.445 1.00 0.00 C ATOM 336 O VAL A 23 5.737 7.548 -2.915 1.00 0.00 O ATOM 337 CB VAL A 23 4.446 5.605 -0.546 1.00 0.00 C ATOM 338 CG1 VAL A 23 4.291 7.047 0.013 1.00 0.00 C ATOM 339 CG2 VAL A 23 3.234 4.763 -0.128 1.00 0.00 C ATOM 0 H VAL A 23 4.707 3.531 -1.886 1.00 0.00 H new ATOM 0 HA VAL A 23 3.697 6.096 -2.498 1.00 0.00 H new ATOM 0 HB VAL A 23 5.353 5.163 -0.134 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.197 7.008 1.098 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.167 7.637 -0.255 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.399 7.508 -0.412 1.00 0.00 H new ATOM 0 HG21 VAL A 23 3.151 4.759 0.959 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.328 5.190 -0.559 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.360 3.741 -0.486 1.00 0.00 H new ATOM 349 N ALA A 24 7.013 5.828 -2.223 1.00 0.00 N ATOM 350 CA ALA A 24 8.256 6.521 -2.538 1.00 0.00 C ATOM 351 C ALA A 24 8.201 7.043 -3.961 1.00 0.00 C ATOM 352 O ALA A 24 8.518 8.199 -4.221 1.00 0.00 O ATOM 353 CB ALA A 24 9.450 5.574 -2.381 1.00 0.00 C ATOM 0 H ALA A 24 7.129 4.892 -1.834 1.00 0.00 H new ATOM 0 HA ALA A 24 8.378 7.356 -1.848 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.371 6.107 -2.620 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.496 5.213 -1.353 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.334 4.728 -3.058 1.00 0.00 H new ATOM 359 N GLY A 25 7.800 6.183 -4.884 1.00 0.00 N ATOM 360 CA GLY A 25 7.709 6.583 -6.280 1.00 0.00 C ATOM 361 C GLY A 25 6.689 7.709 -6.459 1.00 0.00 C ATOM 362 O GLY A 25 6.917 8.646 -7.224 1.00 0.00 O ATOM 0 H GLY A 25 7.535 5.216 -4.696 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.686 6.913 -6.633 1.00 0.00 H new ATOM 0 HA3 GLY A 25 7.422 5.726 -6.890 1.00 0.00 H new ATOM 366 N HIS A 26 5.550 7.599 -5.771 1.00 0.00 N ATOM 367 CA HIS A 26 4.493 8.605 -5.889 1.00 0.00 C ATOM 368 C HIS A 26 5.004 10.003 -5.529 1.00 0.00 C ATOM 369 O HIS A 26 4.791 10.954 -6.280 1.00 0.00 O ATOM 370 CB HIS A 26 3.320 8.245 -4.951 1.00 0.00 C ATOM 371 CG HIS A 26 2.357 7.315 -5.637 1.00 0.00 C ATOM 372 ND1 HIS A 26 1.625 7.704 -6.744 1.00 0.00 N ATOM 373 CD2 HIS A 26 1.982 6.022 -5.371 1.00 0.00 C ATOM 374 CE1 HIS A 26 0.853 6.665 -7.103 1.00 0.00 C ATOM 375 NE2 HIS A 26 1.031 5.613 -6.301 1.00 0.00 N ATOM 0 H HIS A 26 5.338 6.832 -5.133 1.00 0.00 H new ATOM 0 HA HIS A 26 4.160 8.613 -6.927 1.00 0.00 H new ATOM 0 HB2 HIS A 26 3.703 7.776 -4.045 1.00 0.00 H new ATOM 0 HB3 HIS A 26 2.801 9.153 -4.645 1.00 0.00 H new ATOM 0 HD1 HIS A 26 1.664 8.614 -7.204 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.366 5.415 -4.564 1.00 0.00 H new ATOM 0 HE1 HIS A 26 0.170 6.679 -7.940 1.00 0.00 H new ATOM 384 N LEU A 27 5.663 10.132 -4.376 1.00 0.00 N ATOM 385 CA LEU A 27 6.170 11.435 -3.953 1.00 0.00 C ATOM 386 C LEU A 27 7.588 11.658 -4.474 1.00 0.00 C ATOM 387 O LEU A 27 7.978 12.784 -4.779 1.00 0.00 O ATOM 388 CB LEU A 27 6.162 11.497 -2.425 1.00 0.00 C ATOM 389 CG LEU A 27 4.753 11.190 -1.903 1.00 0.00 C ATOM 390 CD1 LEU A 27 4.775 11.175 -0.373 1.00 0.00 C ATOM 391 CD2 LEU A 27 3.760 12.260 -2.391 1.00 0.00 C ATOM 0 H LEU A 27 5.855 9.366 -3.731 1.00 0.00 H new ATOM 0 HA LEU A 27 5.531 12.218 -4.362 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.875 10.780 -2.019 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.477 12.485 -2.090 1.00 0.00 H new ATOM 0 HG LEU A 27 4.437 10.217 -2.279 1.00 0.00 H new ATOM 0 HD11 LEU A 27 3.775 10.957 0.003 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.468 10.408 -0.027 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.097 12.149 -0.004 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.763 12.031 -2.014 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.070 13.239 -2.025 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.742 12.270 -3.481 1.00 0.00 H new ATOM 403 N GLY A 28 8.357 10.576 -4.565 1.00 0.00 N ATOM 404 CA GLY A 28 9.739 10.650 -5.040 1.00 0.00 C ATOM 405 C GLY A 28 10.718 10.716 -3.868 1.00 0.00 C ATOM 406 O GLY A 28 11.931 10.794 -4.064 1.00 0.00 O ATOM 0 H GLY A 28 8.048 9.636 -4.316 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.963 9.779 -5.657 1.00 0.00 H new ATOM 0 HA3 GLY A 28 9.863 11.529 -5.672 1.00 0.00 H new ATOM 410 N LEU A 29 10.184 10.703 -2.648 1.00 0.00 N ATOM 411 CA LEU A 29 11.017 10.776 -1.449 1.00 0.00 C ATOM 412 C LEU A 29 11.777 9.466 -1.233 1.00 0.00 C ATOM 413 O LEU A 29 11.686 8.540 -2.041 1.00 0.00 O ATOM 414 CB LEU A 29 10.158 11.085 -0.220 1.00 0.00 C ATOM 415 CG LEU A 29 9.276 12.309 -0.489 1.00 0.00 C ATOM 416 CD1 LEU A 29 8.392 12.573 0.734 1.00 0.00 C ATOM 417 CD2 LEU A 29 10.153 13.540 -0.768 1.00 0.00 C ATOM 0 H LEU A 29 9.183 10.643 -2.464 1.00 0.00 H new ATOM 0 HA LEU A 29 11.740 11.579 -1.590 1.00 0.00 H new ATOM 0 HB2 LEU A 29 9.535 10.224 0.024 1.00 0.00 H new ATOM 0 HB3 LEU A 29 10.797 11.270 0.643 1.00 0.00 H new ATOM 0 HG LEU A 29 8.650 12.117 -1.360 1.00 0.00 H new ATOM 0 HD11 LEU A 29 7.763 13.443 0.547 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.762 11.703 0.922 1.00 0.00 H new ATOM 0 HD13 LEU A 29 9.021 12.761 1.604 1.00 0.00 H new ATOM 0 HD21 LEU A 29 9.517 14.404 -0.958 1.00 0.00 H new ATOM 0 HD22 LEU A 29 10.787 13.739 0.096 1.00 0.00 H new ATOM 0 HD23 LEU A 29 10.778 13.351 -1.641 1.00 0.00 H new ATOM 429 N ASP A 30 12.524 9.400 -0.136 1.00 0.00 N ATOM 430 CA ASP A 30 13.306 8.206 0.190 1.00 0.00 C ATOM 431 C ASP A 30 12.416 7.115 0.786 1.00 0.00 C ATOM 432 O ASP A 30 11.762 7.322 1.809 1.00 0.00 O ATOM 433 CB ASP A 30 14.413 8.558 1.184 1.00 0.00 C ATOM 434 CG ASP A 30 15.501 9.373 0.497 1.00 0.00 C ATOM 435 OD1 ASP A 30 15.506 9.412 -0.723 1.00 0.00 O ATOM 436 OD2 ASP A 30 16.315 9.950 1.199 1.00 0.00 O ATOM 0 H ASP A 30 12.606 10.156 0.543 1.00 0.00 H new ATOM 0 HA ASP A 30 13.749 7.831 -0.733 1.00 0.00 H new ATOM 0 HB2 ASP A 30 13.996 9.124 2.017 1.00 0.00 H new ATOM 0 HB3 ASP A 30 14.841 7.646 1.600 1.00 0.00 H new ATOM 441 N ALA A 31 12.404 5.954 0.137 1.00 0.00 N ATOM 442 CA ALA A 31 11.594 4.830 0.596 1.00 0.00 C ATOM 443 C ALA A 31 11.935 4.435 2.027 1.00 0.00 C ATOM 444 O ALA A 31 11.042 4.126 2.824 1.00 0.00 O ATOM 445 CB ALA A 31 11.801 3.629 -0.327 1.00 0.00 C ATOM 0 H ALA A 31 12.945 5.767 -0.707 1.00 0.00 H new ATOM 0 HA ALA A 31 10.550 5.144 0.572 1.00 0.00 H new ATOM 0 HB1 ALA A 31 11.194 2.794 0.021 1.00 0.00 H new ATOM 0 HB2 ALA A 31 11.505 3.895 -1.342 1.00 0.00 H new ATOM 0 HB3 ALA A 31 12.852 3.341 -0.319 1.00 0.00 H new ATOM 451 N ALA A 32 13.216 4.484 2.365 1.00 0.00 N ATOM 452 CA ALA A 32 13.655 4.139 3.710 1.00 0.00 C ATOM 453 C ALA A 32 13.012 5.045 4.755 1.00 0.00 C ATOM 454 O ALA A 32 12.861 4.651 5.911 1.00 0.00 O ATOM 455 CB ALA A 32 15.176 4.260 3.795 1.00 0.00 C ATOM 0 H ALA A 32 13.966 4.758 1.730 1.00 0.00 H new ATOM 0 HA ALA A 32 13.348 3.114 3.916 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.506 4.002 4.801 1.00 0.00 H new ATOM 0 HB2 ALA A 32 15.636 3.581 3.077 1.00 0.00 H new ATOM 0 HB3 ALA A 32 15.473 5.284 3.567 1.00 0.00 H new ATOM 461 N THR A 33 12.648 6.262 4.348 1.00 0.00 N ATOM 462 CA THR A 33 12.034 7.225 5.267 1.00 0.00 C ATOM 463 C THR A 33 10.674 7.689 4.754 1.00 0.00 C ATOM 464 O THR A 33 10.302 8.855 4.902 1.00 0.00 O ATOM 465 CB THR A 33 12.981 8.430 5.449 1.00 0.00 C ATOM 466 OG1 THR A 33 13.729 8.621 4.257 1.00 0.00 O ATOM 467 CG2 THR A 33 13.947 8.173 6.614 1.00 0.00 C ATOM 0 H THR A 33 12.766 6.604 3.394 1.00 0.00 H new ATOM 0 HA THR A 33 11.873 6.738 6.229 1.00 0.00 H new ATOM 0 HB THR A 33 12.388 9.319 5.666 1.00 0.00 H new ATOM 0 HG1 THR A 33 14.331 9.387 4.368 1.00 0.00 H new ATOM 0 HG21 THR A 33 14.610 9.030 6.733 1.00 0.00 H new ATOM 0 HG22 THR A 33 13.378 8.024 7.532 1.00 0.00 H new ATOM 0 HG23 THR A 33 14.539 7.282 6.406 1.00 0.00 H new ATOM 475 N ILE A 34 9.915 6.782 4.156 1.00 0.00 N ATOM 476 CA ILE A 34 8.603 7.166 3.659 1.00 0.00 C ATOM 477 C ILE A 34 7.621 7.339 4.813 1.00 0.00 C ATOM 478 O ILE A 34 7.264 8.463 5.158 1.00 0.00 O ATOM 479 CB ILE A 34 8.120 6.104 2.636 1.00 0.00 C ATOM 480 CG1 ILE A 34 8.505 6.559 1.218 1.00 0.00 C ATOM 481 CG2 ILE A 34 6.603 5.856 2.691 1.00 0.00 C ATOM 482 CD1 ILE A 34 7.605 7.703 0.730 1.00 0.00 C ATOM 0 H ILE A 34 10.173 5.807 4.006 1.00 0.00 H new ATOM 0 HA ILE A 34 8.664 8.129 3.153 1.00 0.00 H new ATOM 0 HB ILE A 34 8.607 5.164 2.896 1.00 0.00 H new ATOM 0 HG12 ILE A 34 9.545 6.884 1.209 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.428 5.716 0.531 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.330 5.103 1.951 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.328 5.504 3.685 1.00 0.00 H new ATOM 0 HG23 ILE A 34 6.074 6.785 2.475 1.00 0.00 H new ATOM 0 HD11 ILE A 34 7.906 7.999 -0.275 1.00 0.00 H new ATOM 0 HD12 ILE A 34 6.568 7.369 0.715 1.00 0.00 H new ATOM 0 HD13 ILE A 34 7.702 8.555 1.403 1.00 0.00 H new ATOM 494 N ALA A 35 7.175 6.231 5.381 1.00 0.00 N ATOM 495 CA ALA A 35 6.211 6.278 6.466 1.00 0.00 C ATOM 496 C ALA A 35 5.690 4.873 6.750 1.00 0.00 C ATOM 497 O ALA A 35 4.578 4.710 7.248 1.00 0.00 O ATOM 498 CB ALA A 35 5.030 7.200 6.085 1.00 0.00 C ATOM 0 H ALA A 35 7.464 5.291 5.110 1.00 0.00 H new ATOM 0 HA ALA A 35 6.699 6.672 7.357 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.312 7.229 6.905 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.402 8.206 5.892 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.542 6.815 5.189 1.00 0.00 H new ATOM 504 N THR A 36 6.480 3.860 6.399 1.00 0.00 N ATOM 505 CA THR A 36 6.066 2.469 6.587 1.00 0.00 C ATOM 506 C THR A 36 5.302 2.290 7.894 1.00 0.00 C ATOM 507 O THR A 36 4.337 1.530 7.946 1.00 0.00 O ATOM 508 CB THR A 36 7.296 1.553 6.598 1.00 0.00 C ATOM 509 OG1 THR A 36 8.078 1.828 7.752 1.00 0.00 O ATOM 510 CG2 THR A 36 8.135 1.791 5.341 1.00 0.00 C ATOM 0 H THR A 36 7.405 3.974 5.985 1.00 0.00 H new ATOM 0 HA THR A 36 5.409 2.204 5.759 1.00 0.00 H new ATOM 0 HB THR A 36 6.970 0.513 6.616 1.00 0.00 H new ATOM 0 HG1 THR A 36 8.864 1.242 7.762 1.00 0.00 H new ATOM 0 HG21 THR A 36 9.007 1.137 5.356 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.535 1.576 4.457 1.00 0.00 H new ATOM 0 HG23 THR A 36 8.462 2.830 5.313 1.00 0.00 H new ATOM 518 N ASP A 37 5.725 2.990 8.943 1.00 0.00 N ATOM 519 CA ASP A 37 5.057 2.901 10.239 1.00 0.00 C ATOM 520 C ASP A 37 4.100 4.075 10.431 1.00 0.00 C ATOM 521 O ASP A 37 3.190 4.015 11.256 1.00 0.00 O ATOM 522 CB ASP A 37 6.107 2.928 11.345 1.00 0.00 C ATOM 523 CG ASP A 37 6.982 4.169 11.187 1.00 0.00 C ATOM 524 OD1 ASP A 37 6.631 5.022 10.389 1.00 0.00 O ATOM 525 OD2 ASP A 37 7.993 4.247 11.867 1.00 0.00 O ATOM 0 H ASP A 37 6.524 3.623 8.922 1.00 0.00 H new ATOM 0 HA ASP A 37 4.488 1.972 10.279 1.00 0.00 H new ATOM 0 HB2 ASP A 37 5.622 2.934 12.321 1.00 0.00 H new ATOM 0 HB3 ASP A 37 6.721 2.029 11.300 1.00 0.00 H new ATOM 530 N LEU A 38 4.326 5.154 9.677 1.00 0.00 N ATOM 531 CA LEU A 38 3.492 6.357 9.785 1.00 0.00 C ATOM 532 C LEU A 38 2.360 6.322 8.758 1.00 0.00 C ATOM 533 O LEU A 38 2.484 5.691 7.710 1.00 0.00 O ATOM 534 CB LEU A 38 4.358 7.608 9.538 1.00 0.00 C ATOM 535 CG LEU A 38 5.108 8.009 10.820 1.00 0.00 C ATOM 536 CD1 LEU A 38 6.350 8.818 10.451 1.00 0.00 C ATOM 537 CD2 LEU A 38 4.201 8.865 11.704 1.00 0.00 C ATOM 0 H LEU A 38 5.075 5.221 8.988 1.00 0.00 H new ATOM 0 HA LEU A 38 3.061 6.391 10.786 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.073 7.410 8.739 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.728 8.433 9.205 1.00 0.00 H new ATOM 0 HG LEU A 38 5.399 7.108 11.360 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.882 9.102 11.359 1.00 0.00 H new ATOM 0 HD12 LEU A 38 7.004 8.214 9.822 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.052 9.715 9.909 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.737 9.146 12.611 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.908 9.764 11.162 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.311 8.296 11.971 1.00 0.00 H new ATOM 549 N PRO A 39 1.275 7.003 9.022 1.00 0.00 N ATOM 550 CA PRO A 39 0.131 7.057 8.078 1.00 0.00 C ATOM 551 C PRO A 39 0.480 7.827 6.808 1.00 0.00 C ATOM 552 O PRO A 39 1.527 8.469 6.709 1.00 0.00 O ATOM 553 CB PRO A 39 -0.980 7.760 8.878 1.00 0.00 C ATOM 554 CG PRO A 39 -0.260 8.571 9.903 1.00 0.00 C ATOM 555 CD PRO A 39 1.003 7.783 10.247 1.00 0.00 C ATOM 0 HA PRO A 39 -0.166 6.067 7.732 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -1.592 8.391 8.234 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.649 7.037 9.345 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -0.011 9.559 9.515 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -0.879 8.722 10.787 1.00 0.00 H new ATOM 0 HD2 PRO A 39 1.833 8.445 10.493 1.00 0.00 H new ATOM 0 HD3 PRO A 39 0.847 7.134 11.109 1.00 0.00 H new ATOM 563 N LEU A 40 -0.416 7.751 5.848 1.00 0.00 N ATOM 564 CA LEU A 40 -0.235 8.432 4.588 1.00 0.00 C ATOM 565 C LEU A 40 -0.449 9.928 4.755 1.00 0.00 C ATOM 566 O LEU A 40 0.015 10.734 3.950 1.00 0.00 O ATOM 567 CB LEU A 40 -1.161 7.819 3.515 1.00 0.00 C ATOM 568 CG LEU A 40 -2.671 8.087 3.765 1.00 0.00 C ATOM 569 CD1 LEU A 40 -3.089 7.696 5.179 1.00 0.00 C ATOM 570 CD2 LEU A 40 -3.020 9.555 3.500 1.00 0.00 C ATOM 0 H LEU A 40 -1.284 7.219 5.919 1.00 0.00 H new ATOM 0 HA LEU A 40 0.791 8.295 4.247 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.887 8.220 2.539 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.994 6.743 3.476 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.226 7.462 3.065 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.151 7.899 5.314 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.900 6.634 5.334 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.515 8.276 5.902 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.083 9.715 3.682 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.438 10.193 4.165 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.788 9.803 2.464 1.00 0.00 H new ATOM 582 N THR A 41 -1.161 10.298 5.806 1.00 0.00 N ATOM 583 CA THR A 41 -1.444 11.693 6.056 1.00 0.00 C ATOM 584 C THR A 41 -0.154 12.495 6.165 1.00 0.00 C ATOM 585 O THR A 41 -0.127 13.679 5.833 1.00 0.00 O ATOM 586 CB THR A 41 -2.247 11.840 7.346 1.00 0.00 C ATOM 587 OG1 THR A 41 -1.621 11.092 8.378 1.00 0.00 O ATOM 588 CG2 THR A 41 -3.668 11.330 7.125 1.00 0.00 C ATOM 0 H THR A 41 -1.550 9.653 6.494 1.00 0.00 H new ATOM 0 HA THR A 41 -2.026 12.078 5.219 1.00 0.00 H new ATOM 0 HB THR A 41 -2.286 12.890 7.635 1.00 0.00 H new ATOM 0 HG1 THR A 41 -2.134 11.186 9.208 1.00 0.00 H new ATOM 0 HG21 THR A 41 -4.240 11.436 8.047 1.00 0.00 H new ATOM 0 HG22 THR A 41 -4.144 11.910 6.334 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.637 10.280 6.836 1.00 0.00 H new ATOM 596 N SER A 42 0.909 11.855 6.642 1.00 0.00 N ATOM 597 CA SER A 42 2.190 12.531 6.798 1.00 0.00 C ATOM 598 C SER A 42 2.584 13.250 5.510 1.00 0.00 C ATOM 599 O SER A 42 3.335 14.225 5.533 1.00 0.00 O ATOM 600 CB SER A 42 3.264 11.497 7.165 1.00 0.00 C ATOM 601 OG SER A 42 4.549 12.044 6.911 1.00 0.00 O ATOM 0 H SER A 42 0.908 10.875 6.925 1.00 0.00 H new ATOM 0 HA SER A 42 2.103 13.274 7.591 1.00 0.00 H new ATOM 0 HB2 SER A 42 3.175 11.221 8.216 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.122 10.586 6.583 1.00 0.00 H new ATOM 0 HG SER A 42 5.237 11.386 7.146 1.00 0.00 H new ATOM 607 N TYR A 43 2.070 12.761 4.387 1.00 0.00 N ATOM 608 CA TYR A 43 2.377 13.359 3.091 1.00 0.00 C ATOM 609 C TYR A 43 1.674 14.707 2.934 1.00 0.00 C ATOM 610 O TYR A 43 1.858 15.396 1.933 1.00 0.00 O ATOM 611 CB TYR A 43 1.960 12.401 1.962 1.00 0.00 C ATOM 612 CG TYR A 43 2.473 10.991 2.229 1.00 0.00 C ATOM 613 CD1 TYR A 43 3.752 10.766 2.779 1.00 0.00 C ATOM 614 CD2 TYR A 43 1.655 9.895 1.925 1.00 0.00 C ATOM 615 CE1 TYR A 43 4.191 9.459 3.021 1.00 0.00 C ATOM 616 CE2 TYR A 43 2.104 8.593 2.174 1.00 0.00 C ATOM 617 CZ TYR A 43 3.362 8.377 2.719 1.00 0.00 C ATOM 618 OH TYR A 43 3.779 7.089 2.970 1.00 0.00 O ATOM 0 H TYR A 43 1.443 11.958 4.346 1.00 0.00 H new ATOM 0 HA TYR A 43 3.452 13.531 3.033 1.00 0.00 H new ATOM 0 HB2 TYR A 43 0.874 12.387 1.874 1.00 0.00 H new ATOM 0 HB3 TYR A 43 2.352 12.761 1.011 1.00 0.00 H new ATOM 0 HD1 TYR A 43 4.393 11.603 3.014 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.676 10.055 1.498 1.00 0.00 H new ATOM 0 HE1 TYR A 43 5.171 9.288 3.441 1.00 0.00 H new ATOM 0 HE2 TYR A 43 1.468 7.752 1.941 1.00 0.00 H new ATOM 0 HH TYR A 43 3.084 6.459 2.685 1.00 0.00 H new ATOM 628 N GLY A 44 0.910 15.100 3.947 1.00 0.00 N ATOM 629 CA GLY A 44 0.233 16.395 3.921 1.00 0.00 C ATOM 630 C GLY A 44 -0.771 16.472 2.780 1.00 0.00 C ATOM 631 O GLY A 44 -1.227 17.556 2.414 1.00 0.00 O ATOM 0 H GLY A 44 0.744 14.549 4.789 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.278 16.559 4.870 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.970 17.191 3.814 1.00 0.00 H new ATOM 635 N LEU A 45 -1.115 15.319 2.227 1.00 0.00 N ATOM 636 CA LEU A 45 -2.068 15.249 1.127 1.00 0.00 C ATOM 637 C LEU A 45 -3.503 15.536 1.588 1.00 0.00 C ATOM 638 O LEU A 45 -3.953 15.048 2.623 1.00 0.00 O ATOM 639 CB LEU A 45 -1.981 13.849 0.466 1.00 0.00 C ATOM 640 CG LEU A 45 -2.888 12.810 1.180 1.00 0.00 C ATOM 641 CD1 LEU A 45 -2.796 11.463 0.462 1.00 0.00 C ATOM 642 CD2 LEU A 45 -2.432 12.619 2.631 1.00 0.00 C ATOM 0 H LEU A 45 -0.747 14.415 2.523 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.808 16.020 0.401 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.272 13.924 -0.582 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.948 13.502 0.486 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.914 13.177 1.161 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.434 10.737 0.967 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.124 11.578 -0.571 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.764 11.112 0.478 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.075 11.888 3.121 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.402 12.263 2.645 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.494 13.570 3.160 1.00 0.00 H new ATOM 654 N ASP A 46 -4.223 16.314 0.800 1.00 0.00 N ATOM 655 CA ASP A 46 -5.606 16.627 1.130 1.00 0.00 C ATOM 656 C ASP A 46 -6.501 15.422 0.821 1.00 0.00 C ATOM 657 O ASP A 46 -6.060 14.458 0.193 1.00 0.00 O ATOM 658 CB ASP A 46 -6.067 17.844 0.327 1.00 0.00 C ATOM 659 CG ASP A 46 -5.455 19.117 0.899 1.00 0.00 C ATOM 660 OD1 ASP A 46 -4.998 19.081 2.031 1.00 0.00 O ATOM 661 OD2 ASP A 46 -5.448 20.112 0.194 1.00 0.00 O ATOM 0 H ASP A 46 -3.881 16.737 -0.063 1.00 0.00 H new ATOM 0 HA ASP A 46 -5.678 16.856 2.193 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.777 17.730 -0.718 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -7.155 17.913 0.350 1.00 0.00 H new ATOM 666 N SER A 47 -7.753 15.478 1.270 1.00 0.00 N ATOM 667 CA SER A 47 -8.697 14.383 1.041 1.00 0.00 C ATOM 668 C SER A 47 -8.933 14.172 -0.450 1.00 0.00 C ATOM 669 O SER A 47 -9.090 13.041 -0.913 1.00 0.00 O ATOM 670 CB SER A 47 -10.027 14.702 1.723 1.00 0.00 C ATOM 671 OG SER A 47 -9.855 14.646 3.132 1.00 0.00 O ATOM 0 H SER A 47 -8.137 16.265 1.792 1.00 0.00 H new ATOM 0 HA SER A 47 -8.273 13.470 1.460 1.00 0.00 H new ATOM 0 HB2 SER A 47 -10.373 15.692 1.426 1.00 0.00 H new ATOM 0 HB3 SER A 47 -10.790 13.990 1.409 1.00 0.00 H new ATOM 0 HG SER A 47 -10.705 14.852 3.574 1.00 0.00 H new ATOM 677 N VAL A 48 -8.956 15.271 -1.195 1.00 0.00 N ATOM 678 CA VAL A 48 -9.169 15.209 -2.634 1.00 0.00 C ATOM 679 C VAL A 48 -8.075 14.386 -3.297 1.00 0.00 C ATOM 680 O VAL A 48 -8.259 13.885 -4.394 1.00 0.00 O ATOM 681 CB VAL A 48 -9.195 16.611 -3.245 1.00 0.00 C ATOM 682 CG1 VAL A 48 -7.822 17.257 -3.095 1.00 0.00 C ATOM 683 CG2 VAL A 48 -9.548 16.511 -4.731 1.00 0.00 C ATOM 0 H VAL A 48 -8.830 16.214 -0.826 1.00 0.00 H new ATOM 0 HA VAL A 48 -10.134 14.733 -2.808 1.00 0.00 H new ATOM 0 HB VAL A 48 -9.941 17.217 -2.731 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.840 18.256 -3.530 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.566 17.327 -2.038 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.076 16.651 -3.610 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -9.567 17.509 -5.168 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -8.800 15.905 -5.243 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -10.528 16.048 -4.842 1.00 0.00 H new ATOM 693 N TYR A 49 -6.926 14.280 -2.633 1.00 0.00 N ATOM 694 CA TYR A 49 -5.797 13.521 -3.179 1.00 0.00 C ATOM 695 C TYR A 49 -5.961 12.018 -2.908 1.00 0.00 C ATOM 696 O TYR A 49 -5.635 11.181 -3.754 1.00 0.00 O ATOM 697 CB TYR A 49 -4.482 14.025 -2.557 1.00 0.00 C ATOM 698 CG TYR A 49 -3.344 13.877 -3.551 1.00 0.00 C ATOM 699 CD1 TYR A 49 -3.372 14.601 -4.749 1.00 0.00 C ATOM 700 CD2 TYR A 49 -2.267 13.023 -3.278 1.00 0.00 C ATOM 701 CE1 TYR A 49 -2.330 14.470 -5.672 1.00 0.00 C ATOM 702 CE2 TYR A 49 -1.227 12.894 -4.200 1.00 0.00 C ATOM 703 CZ TYR A 49 -1.256 13.616 -5.398 1.00 0.00 C ATOM 704 OH TYR A 49 -0.229 13.485 -6.310 1.00 0.00 O ATOM 0 H TYR A 49 -6.750 14.706 -1.723 1.00 0.00 H new ATOM 0 HA TYR A 49 -5.771 13.672 -4.258 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.586 15.070 -2.265 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -4.260 13.461 -1.651 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -4.200 15.262 -4.960 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -2.242 12.464 -2.354 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -2.354 15.028 -6.596 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -0.398 12.235 -3.988 1.00 0.00 H new ATOM 0 HH TYR A 49 0.437 12.854 -5.964 1.00 0.00 H new ATOM 714 N ALA A 50 -6.442 11.691 -1.712 1.00 0.00 N ATOM 715 CA ALA A 50 -6.624 10.296 -1.318 1.00 0.00 C ATOM 716 C ALA A 50 -7.309 9.503 -2.427 1.00 0.00 C ATOM 717 O ALA A 50 -7.051 8.312 -2.603 1.00 0.00 O ATOM 718 CB ALA A 50 -7.471 10.223 -0.045 1.00 0.00 C ATOM 0 H ALA A 50 -6.712 12.370 -1.000 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.641 9.862 -1.133 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.604 9.181 0.244 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.968 10.761 0.758 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -8.445 10.675 -0.230 1.00 0.00 H new ATOM 724 N LEU A 51 -8.174 10.172 -3.176 1.00 0.00 N ATOM 725 CA LEU A 51 -8.882 9.521 -4.273 1.00 0.00 C ATOM 726 C LEU A 51 -7.916 9.182 -5.408 1.00 0.00 C ATOM 727 O LEU A 51 -7.995 8.111 -6.008 1.00 0.00 O ATOM 728 CB LEU A 51 -10.010 10.438 -4.778 1.00 0.00 C ATOM 729 CG LEU A 51 -9.433 11.590 -5.634 1.00 0.00 C ATOM 730 CD1 LEU A 51 -9.239 11.155 -7.114 1.00 0.00 C ATOM 731 CD2 LEU A 51 -10.378 12.803 -5.553 1.00 0.00 C ATOM 0 H LEU A 51 -8.402 11.158 -3.047 1.00 0.00 H new ATOM 0 HA LEU A 51 -9.318 8.590 -3.911 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -10.720 9.859 -5.369 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -10.560 10.848 -3.931 1.00 0.00 H new ATOM 0 HG LEU A 51 -8.453 11.859 -5.241 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.832 11.988 -7.688 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.549 10.313 -7.158 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -10.200 10.859 -7.535 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -9.976 13.618 -6.155 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -11.362 12.524 -5.931 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -10.466 13.127 -4.516 1.00 0.00 H new ATOM 743 N SER A 52 -7.011 10.108 -5.700 1.00 0.00 N ATOM 744 CA SER A 52 -6.044 9.912 -6.766 1.00 0.00 C ATOM 745 C SER A 52 -5.117 8.753 -6.441 1.00 0.00 C ATOM 746 O SER A 52 -4.912 7.852 -7.260 1.00 0.00 O ATOM 747 CB SER A 52 -5.227 11.194 -6.941 1.00 0.00 C ATOM 748 OG SER A 52 -6.071 12.319 -6.731 1.00 0.00 O ATOM 0 H SER A 52 -6.929 11.000 -5.213 1.00 0.00 H new ATOM 0 HA SER A 52 -6.574 9.679 -7.690 1.00 0.00 H new ATOM 0 HB2 SER A 52 -4.397 11.210 -6.234 1.00 0.00 H new ATOM 0 HB3 SER A 52 -4.795 11.230 -7.941 1.00 0.00 H new ATOM 0 HG SER A 52 -5.551 13.143 -6.840 1.00 0.00 H new ATOM 754 N ILE A 53 -4.566 8.773 -5.239 1.00 0.00 N ATOM 755 CA ILE A 53 -3.669 7.714 -4.826 1.00 0.00 C ATOM 756 C ILE A 53 -4.422 6.400 -4.691 1.00 0.00 C ATOM 757 O ILE A 53 -3.985 5.367 -5.195 1.00 0.00 O ATOM 758 CB ILE A 53 -3.012 8.072 -3.499 1.00 0.00 C ATOM 759 CG1 ILE A 53 -2.094 9.275 -3.725 1.00 0.00 C ATOM 760 CG2 ILE A 53 -2.196 6.873 -2.982 1.00 0.00 C ATOM 761 CD1 ILE A 53 -1.447 9.655 -2.401 1.00 0.00 C ATOM 0 H ILE A 53 -4.723 9.501 -4.542 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.898 7.599 -5.587 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.771 8.319 -2.757 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.329 9.032 -4.463 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.664 10.115 -4.121 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.728 7.134 -2.033 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.857 6.018 -2.838 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.425 6.617 -3.709 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.790 10.512 -2.550 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.221 9.913 -1.678 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.866 8.813 -2.025 1.00 0.00 H new ATOM 773 N ALA A 54 -5.549 6.445 -3.995 1.00 0.00 N ATOM 774 CA ALA A 54 -6.332 5.243 -3.788 1.00 0.00 C ATOM 775 C ALA A 54 -6.606 4.571 -5.120 1.00 0.00 C ATOM 776 O ALA A 54 -6.458 3.359 -5.249 1.00 0.00 O ATOM 777 CB ALA A 54 -7.650 5.580 -3.093 1.00 0.00 C ATOM 0 H ALA A 54 -5.934 7.289 -3.571 1.00 0.00 H new ATOM 0 HA ALA A 54 -5.767 4.561 -3.152 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -8.227 4.667 -2.945 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -7.444 6.041 -2.127 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -8.220 6.273 -3.711 1.00 0.00 H new ATOM 783 N ALA A 55 -6.990 5.371 -6.111 1.00 0.00 N ATOM 784 CA ALA A 55 -7.271 4.850 -7.444 1.00 0.00 C ATOM 785 C ALA A 55 -6.004 4.280 -8.085 1.00 0.00 C ATOM 786 O ALA A 55 -6.058 3.297 -8.814 1.00 0.00 O ATOM 787 CB ALA A 55 -7.843 5.960 -8.326 1.00 0.00 C ATOM 0 H ALA A 55 -7.113 6.379 -6.016 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.002 4.047 -7.351 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.051 5.564 -9.320 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.766 6.336 -7.885 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.121 6.773 -8.403 1.00 0.00 H new ATOM 793 N GLU A 56 -4.871 4.920 -7.829 1.00 0.00 N ATOM 794 CA GLU A 56 -3.599 4.470 -8.406 1.00 0.00 C ATOM 795 C GLU A 56 -3.098 3.169 -7.746 1.00 0.00 C ATOM 796 O GLU A 56 -2.787 2.179 -8.431 1.00 0.00 O ATOM 797 CB GLU A 56 -2.543 5.591 -8.241 1.00 0.00 C ATOM 798 CG GLU A 56 -2.393 6.406 -9.536 1.00 0.00 C ATOM 799 CD GLU A 56 -3.676 7.170 -9.843 1.00 0.00 C ATOM 800 OE1 GLU A 56 -4.724 6.742 -9.391 1.00 0.00 O ATOM 801 OE2 GLU A 56 -3.592 8.172 -10.534 1.00 0.00 O ATOM 0 H GLU A 56 -4.800 5.744 -7.233 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.758 4.257 -9.463 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.834 6.251 -7.424 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.582 5.153 -7.970 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.562 7.105 -9.438 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.153 5.740 -10.365 1.00 0.00 H new ATOM 808 N LEU A 57 -3.028 3.171 -6.418 1.00 0.00 N ATOM 809 CA LEU A 57 -2.553 1.996 -5.689 1.00 0.00 C ATOM 810 C LEU A 57 -3.460 0.799 -5.954 1.00 0.00 C ATOM 811 O LEU A 57 -2.989 -0.321 -6.133 1.00 0.00 O ATOM 812 CB LEU A 57 -2.546 2.291 -4.186 1.00 0.00 C ATOM 813 CG LEU A 57 -1.649 3.494 -3.877 1.00 0.00 C ATOM 814 CD1 LEU A 57 -1.657 3.746 -2.369 1.00 0.00 C ATOM 815 CD2 LEU A 57 -0.208 3.263 -4.348 1.00 0.00 C ATOM 0 H LEU A 57 -3.290 3.962 -5.829 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.544 1.763 -6.030 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.562 2.491 -3.844 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.192 1.417 -3.640 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.040 4.359 -4.413 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.021 4.601 -2.140 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.675 3.953 -2.040 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.280 2.864 -1.851 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.397 4.138 -4.111 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.204 2.389 -3.843 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.200 3.097 -5.425 1.00 0.00 H new ATOM 827 N GLU A 58 -4.763 1.033 -5.959 1.00 0.00 N ATOM 828 CA GLU A 58 -5.706 -0.051 -6.198 1.00 0.00 C ATOM 829 C GLU A 58 -5.715 -0.470 -7.668 1.00 0.00 C ATOM 830 O GLU A 58 -5.751 -1.661 -7.983 1.00 0.00 O ATOM 831 CB GLU A 58 -7.109 0.367 -5.770 1.00 0.00 C ATOM 832 CG GLU A 58 -7.668 1.442 -6.721 1.00 0.00 C ATOM 833 CD GLU A 58 -8.386 0.810 -7.916 1.00 0.00 C ATOM 834 OE1 GLU A 58 -8.259 -0.387 -8.100 1.00 0.00 O ATOM 835 OE2 GLU A 58 -9.048 1.542 -8.635 1.00 0.00 O ATOM 0 H GLU A 58 -5.188 1.947 -5.803 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.386 -0.907 -5.604 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -7.768 -0.501 -5.767 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -7.084 0.753 -4.751 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.359 2.086 -6.178 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.855 2.075 -7.076 1.00 0.00 H new ATOM 842 N ASP A 59 -5.695 0.513 -8.570 1.00 0.00 N ATOM 843 CA ASP A 59 -5.714 0.221 -10.001 1.00 0.00 C ATOM 844 C ASP A 59 -4.560 -0.706 -10.357 1.00 0.00 C ATOM 845 O ASP A 59 -4.630 -1.460 -11.327 1.00 0.00 O ATOM 846 CB ASP A 59 -5.618 1.526 -10.807 1.00 0.00 C ATOM 847 CG ASP A 59 -5.378 1.233 -12.284 1.00 0.00 C ATOM 848 OD1 ASP A 59 -6.317 0.825 -12.947 1.00 0.00 O ATOM 849 OD2 ASP A 59 -4.260 1.426 -12.733 1.00 0.00 O ATOM 0 H ASP A 59 -5.666 1.506 -8.338 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.652 -0.275 -10.250 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.537 2.100 -10.690 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -4.807 2.141 -10.417 1.00 0.00 H new ATOM 854 N HIS A 60 -3.508 -0.652 -9.553 1.00 0.00 N ATOM 855 CA HIS A 60 -2.342 -1.505 -9.780 1.00 0.00 C ATOM 856 C HIS A 60 -2.670 -2.973 -9.539 1.00 0.00 C ATOM 857 O HIS A 60 -2.146 -3.862 -10.212 1.00 0.00 O ATOM 858 CB HIS A 60 -1.193 -1.086 -8.833 1.00 0.00 C ATOM 859 CG HIS A 60 -0.332 -0.066 -9.536 1.00 0.00 C ATOM 860 ND1 HIS A 60 -0.819 1.180 -9.889 1.00 0.00 N ATOM 861 CD2 HIS A 60 0.955 -0.116 -10.005 1.00 0.00 C ATOM 862 CE1 HIS A 60 0.159 1.826 -10.546 1.00 0.00 C ATOM 863 NE2 HIS A 60 1.264 1.081 -10.646 1.00 0.00 N ATOM 0 H HIS A 60 -3.434 -0.034 -8.745 1.00 0.00 H new ATOM 0 HA HIS A 60 -2.039 -1.382 -10.820 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -1.597 -0.668 -7.911 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -0.597 -1.955 -8.554 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -1.751 1.542 -9.687 1.00 0.00 H new ATOM 0 HD2 HIS A 60 1.626 -0.955 -9.894 1.00 0.00 H new ATOM 0 HE1 HIS A 60 0.064 2.825 -10.945 1.00 0.00 H new ATOM 872 N LEU A 61 -3.481 -3.223 -8.525 1.00 0.00 N ATOM 873 CA LEU A 61 -3.822 -4.584 -8.123 1.00 0.00 C ATOM 874 C LEU A 61 -5.291 -4.896 -8.409 1.00 0.00 C ATOM 875 O LEU A 61 -5.837 -5.832 -7.834 1.00 0.00 O ATOM 876 CB LEU A 61 -3.531 -4.740 -6.605 1.00 0.00 C ATOM 877 CG LEU A 61 -2.485 -3.707 -6.160 1.00 0.00 C ATOM 878 CD1 LEU A 61 -2.344 -3.744 -4.665 1.00 0.00 C ATOM 879 CD2 LEU A 61 -1.122 -3.999 -6.787 1.00 0.00 C ATOM 0 H LEU A 61 -3.920 -2.497 -7.959 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.218 -5.286 -8.698 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.450 -4.607 -6.035 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.170 -5.747 -6.397 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.822 -2.723 -6.487 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -1.601 -3.010 -4.351 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.303 -3.510 -4.203 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.025 -4.739 -4.354 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.401 -3.252 -6.455 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.785 -4.990 -6.481 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.206 -3.964 -7.873 1.00 0.00 H new ATOM 891 N ASP A 62 -5.921 -4.156 -9.325 1.00 0.00 N ATOM 892 CA ASP A 62 -7.316 -4.428 -9.672 1.00 0.00 C ATOM 893 C ASP A 62 -8.146 -4.728 -8.441 1.00 0.00 C ATOM 894 O ASP A 62 -8.604 -5.856 -8.262 1.00 0.00 O ATOM 895 CB ASP A 62 -7.371 -5.631 -10.579 1.00 0.00 C ATOM 896 CG ASP A 62 -6.770 -5.282 -11.938 1.00 0.00 C ATOM 897 OD1 ASP A 62 -6.546 -4.105 -12.179 1.00 0.00 O ATOM 898 OD2 ASP A 62 -6.548 -6.190 -12.720 1.00 0.00 O ATOM 0 H ASP A 62 -5.496 -3.379 -9.831 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.720 -3.542 -10.162 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.824 -6.461 -10.131 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.403 -5.959 -10.701 1.00 0.00 H new ATOM 903 N VAL A 63 -8.342 -3.730 -7.606 1.00 0.00 N ATOM 904 CA VAL A 63 -9.113 -3.909 -6.384 1.00 0.00 C ATOM 905 C VAL A 63 -9.861 -2.630 -6.038 1.00 0.00 C ATOM 906 O VAL A 63 -9.504 -1.555 -6.496 1.00 0.00 O ATOM 907 CB VAL A 63 -8.153 -4.293 -5.236 1.00 0.00 C ATOM 908 CG1 VAL A 63 -7.815 -5.779 -5.295 1.00 0.00 C ATOM 909 CG2 VAL A 63 -6.842 -3.518 -5.374 1.00 0.00 C ATOM 0 H VAL A 63 -7.981 -2.786 -7.746 1.00 0.00 H new ATOM 0 HA VAL A 63 -9.845 -4.703 -6.530 1.00 0.00 H new ATOM 0 HB VAL A 63 -8.647 -4.056 -4.294 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -7.138 -6.031 -4.479 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.730 -6.364 -5.201 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.335 -6.006 -6.247 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.169 -3.793 -4.562 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -6.375 -3.760 -6.329 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -7.045 -2.448 -5.330 1.00 0.00 H new ATOM 919 N SER A 64 -10.921 -2.750 -5.249 1.00 0.00 N ATOM 920 CA SER A 64 -11.714 -1.588 -4.854 1.00 0.00 C ATOM 921 C SER A 64 -11.572 -1.367 -3.352 1.00 0.00 C ATOM 922 O SER A 64 -11.592 -2.322 -2.576 1.00 0.00 O ATOM 923 CB SER A 64 -13.183 -1.818 -5.208 1.00 0.00 C ATOM 924 OG SER A 64 -13.614 -3.046 -4.639 1.00 0.00 O ATOM 0 H SER A 64 -11.253 -3.637 -4.870 1.00 0.00 H new ATOM 0 HA SER A 64 -11.356 -0.706 -5.386 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.793 -0.996 -4.833 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.309 -1.841 -6.290 1.00 0.00 H new ATOM 0 HG SER A 64 -14.556 -3.197 -4.862 1.00 0.00 H new ATOM 930 N LEU A 65 -11.423 -0.105 -2.946 1.00 0.00 N ATOM 931 CA LEU A 65 -11.271 0.234 -1.525 1.00 0.00 C ATOM 932 C LEU A 65 -12.524 0.936 -1.040 1.00 0.00 C ATOM 933 O LEU A 65 -13.257 1.532 -1.829 1.00 0.00 O ATOM 934 CB LEU A 65 -10.047 1.144 -1.304 1.00 0.00 C ATOM 935 CG LEU A 65 -8.980 0.837 -2.366 1.00 0.00 C ATOM 936 CD1 LEU A 65 -9.356 1.520 -3.708 1.00 0.00 C ATOM 937 CD2 LEU A 65 -7.610 1.348 -1.881 1.00 0.00 C ATOM 0 H LEU A 65 -11.404 0.697 -3.575 1.00 0.00 H new ATOM 0 HA LEU A 65 -11.119 -0.686 -0.961 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.344 2.191 -1.364 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.638 0.985 -0.306 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.927 -0.240 -2.523 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.594 1.297 -4.455 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -10.321 1.144 -4.050 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -9.417 2.599 -3.563 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.853 1.130 -2.634 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -7.660 2.425 -1.718 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -7.346 0.851 -0.947 1.00 0.00 H new ATOM 949 N ASP A 66 -12.776 0.851 0.258 1.00 0.00 N ATOM 950 CA ASP A 66 -13.963 1.473 0.843 1.00 0.00 C ATOM 951 C ASP A 66 -13.616 2.834 1.485 1.00 0.00 C ATOM 952 O ASP A 66 -12.509 3.012 1.983 1.00 0.00 O ATOM 953 CB ASP A 66 -14.559 0.513 1.896 1.00 0.00 C ATOM 954 CG ASP A 66 -15.912 -0.038 1.433 1.00 0.00 C ATOM 955 OD1 ASP A 66 -15.999 -0.462 0.293 1.00 0.00 O ATOM 956 OD2 ASP A 66 -16.841 -0.015 2.224 1.00 0.00 O ATOM 0 H ASP A 66 -12.181 0.361 0.926 1.00 0.00 H new ATOM 0 HA ASP A 66 -14.696 1.659 0.058 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -13.868 -0.311 2.074 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -14.681 1.037 2.844 1.00 0.00 H new ATOM 961 N PRO A 67 -14.538 3.781 1.508 1.00 0.00 N ATOM 962 CA PRO A 67 -14.281 5.119 2.130 1.00 0.00 C ATOM 963 C PRO A 67 -13.693 5.014 3.544 1.00 0.00 C ATOM 964 O PRO A 67 -12.549 5.397 3.784 1.00 0.00 O ATOM 965 CB PRO A 67 -15.672 5.786 2.170 1.00 0.00 C ATOM 966 CG PRO A 67 -16.479 5.105 1.109 1.00 0.00 C ATOM 967 CD PRO A 67 -15.904 3.692 0.950 1.00 0.00 C ATOM 0 HA PRO A 67 -13.543 5.685 1.561 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -16.135 5.668 3.150 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -15.598 6.857 1.979 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -17.531 5.064 1.391 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -16.422 5.653 0.169 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -16.504 2.957 1.486 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -15.886 3.387 -0.096 1.00 0.00 H new ATOM 975 N THR A 68 -14.493 4.503 4.474 1.00 0.00 N ATOM 976 CA THR A 68 -14.061 4.368 5.863 1.00 0.00 C ATOM 977 C THR A 68 -12.933 3.354 5.986 1.00 0.00 C ATOM 978 O THR A 68 -12.212 3.327 6.982 1.00 0.00 O ATOM 979 CB THR A 68 -15.242 3.924 6.740 1.00 0.00 C ATOM 980 OG1 THR A 68 -14.753 3.191 7.857 1.00 0.00 O ATOM 981 CG2 THR A 68 -16.185 3.037 5.926 1.00 0.00 C ATOM 0 H THR A 68 -15.442 4.176 4.293 1.00 0.00 H new ATOM 0 HA THR A 68 -13.698 5.339 6.200 1.00 0.00 H new ATOM 0 HB THR A 68 -15.783 4.804 7.087 1.00 0.00 H new ATOM 0 HG1 THR A 68 -15.505 2.909 8.418 1.00 0.00 H new ATOM 0 HG21 THR A 68 -17.021 2.724 6.552 1.00 0.00 H new ATOM 0 HG22 THR A 68 -16.562 3.596 5.070 1.00 0.00 H new ATOM 0 HG23 THR A 68 -15.645 2.157 5.576 1.00 0.00 H new ATOM 989 N LEU A 69 -12.780 2.524 4.966 1.00 0.00 N ATOM 990 CA LEU A 69 -11.727 1.518 4.974 1.00 0.00 C ATOM 991 C LEU A 69 -10.362 2.164 4.731 1.00 0.00 C ATOM 992 O LEU A 69 -9.383 1.840 5.401 1.00 0.00 O ATOM 993 CB LEU A 69 -12.026 0.453 3.915 1.00 0.00 C ATOM 994 CG LEU A 69 -10.968 -0.664 3.974 1.00 0.00 C ATOM 995 CD1 LEU A 69 -11.516 -1.899 3.253 1.00 0.00 C ATOM 996 CD2 LEU A 69 -9.636 -0.215 3.317 1.00 0.00 C ATOM 0 H LEU A 69 -13.364 2.525 4.130 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.697 1.040 5.953 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -13.018 0.034 4.080 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -12.032 0.906 2.924 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.759 -0.897 5.018 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.776 -2.699 3.287 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -12.431 -2.230 3.743 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.731 -1.648 2.214 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.910 -1.026 3.375 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.813 0.039 2.272 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.248 0.658 3.842 1.00 0.00 H new ATOM 1008 N ILE A 70 -10.302 3.088 3.781 1.00 0.00 N ATOM 1009 CA ILE A 70 -9.047 3.763 3.476 1.00 0.00 C ATOM 1010 C ILE A 70 -8.470 4.388 4.746 1.00 0.00 C ATOM 1011 O ILE A 70 -7.257 4.387 4.955 1.00 0.00 O ATOM 1012 CB ILE A 70 -9.276 4.836 2.403 1.00 0.00 C ATOM 1013 CG1 ILE A 70 -9.611 4.155 1.068 1.00 0.00 C ATOM 1014 CG2 ILE A 70 -8.005 5.672 2.237 1.00 0.00 C ATOM 1015 CD1 ILE A 70 -10.197 5.177 0.091 1.00 0.00 C ATOM 0 H ILE A 70 -11.097 3.385 3.215 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.333 3.035 3.091 1.00 0.00 H new ATOM 0 HB ILE A 70 -10.101 5.482 2.705 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -8.712 3.707 0.643 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -10.323 3.346 1.232 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -8.168 6.434 1.475 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.759 6.153 3.184 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.181 5.026 1.934 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -10.432 4.685 -0.853 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -11.107 5.604 0.513 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -9.471 5.971 -0.084 1.00 0.00 H new ATOM 1027 N TRP A 71 -9.353 4.896 5.596 1.00 0.00 N ATOM 1028 CA TRP A 71 -8.939 5.502 6.859 1.00 0.00 C ATOM 1029 C TRP A 71 -8.742 4.426 7.929 1.00 0.00 C ATOM 1030 O TRP A 71 -8.299 4.716 9.041 1.00 0.00 O ATOM 1031 CB TRP A 71 -9.989 6.514 7.324 1.00 0.00 C ATOM 1032 CG TRP A 71 -9.991 7.689 6.395 1.00 0.00 C ATOM 1033 CD1 TRP A 71 -10.952 7.957 5.482 1.00 0.00 C ATOM 1034 CD2 TRP A 71 -8.999 8.749 6.269 1.00 0.00 C ATOM 1035 NE1 TRP A 71 -10.613 9.117 4.805 1.00 0.00 N ATOM 1036 CE2 TRP A 71 -9.417 9.642 5.254 1.00 0.00 C ATOM 1037 CE3 TRP A 71 -7.788 9.019 6.932 1.00 0.00 C ATOM 1038 CZ2 TRP A 71 -8.660 10.765 4.908 1.00 0.00 C ATOM 1039 CZ3 TRP A 71 -7.026 10.147 6.587 1.00 0.00 C ATOM 1040 CH2 TRP A 71 -7.460 11.017 5.577 1.00 0.00 C ATOM 0 H TRP A 71 -10.360 4.901 5.436 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.991 6.017 6.703 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -10.975 6.049 7.343 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -9.771 6.840 8.341 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -11.838 7.364 5.309 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -11.178 9.533 4.065 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -7.442 8.355 7.711 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -9.000 11.432 4.130 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -6.099 10.346 7.104 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -6.867 11.881 5.316 1.00 0.00 H new ATOM 1051 N ASP A 72 -9.064 3.178 7.578 1.00 0.00 N ATOM 1052 CA ASP A 72 -8.910 2.056 8.509 1.00 0.00 C ATOM 1053 C ASP A 72 -7.501 1.481 8.423 1.00 0.00 C ATOM 1054 O ASP A 72 -6.931 1.050 9.427 1.00 0.00 O ATOM 1055 CB ASP A 72 -9.922 0.953 8.194 1.00 0.00 C ATOM 1056 CG ASP A 72 -9.909 -0.086 9.311 1.00 0.00 C ATOM 1057 OD1 ASP A 72 -9.038 -0.001 10.161 1.00 0.00 O ATOM 1058 OD2 ASP A 72 -10.767 -0.953 9.299 1.00 0.00 O ATOM 0 H ASP A 72 -9.431 2.920 6.662 1.00 0.00 H new ATOM 0 HA ASP A 72 -9.087 2.430 9.517 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -10.920 1.379 8.091 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -9.677 0.482 7.242 1.00 0.00 H new ATOM 1063 N HIS A 73 -6.946 1.478 7.209 1.00 0.00 N ATOM 1064 CA HIS A 73 -5.598 0.956 6.968 1.00 0.00 C ATOM 1065 C HIS A 73 -4.698 2.024 6.330 1.00 0.00 C ATOM 1066 O HIS A 73 -4.131 1.807 5.258 1.00 0.00 O ATOM 1067 CB HIS A 73 -5.693 -0.254 6.035 1.00 0.00 C ATOM 1068 CG HIS A 73 -6.775 -1.181 6.520 1.00 0.00 C ATOM 1069 ND1 HIS A 73 -7.123 -1.284 7.858 1.00 0.00 N ATOM 1070 CD2 HIS A 73 -7.608 -2.041 5.849 1.00 0.00 C ATOM 1071 CE1 HIS A 73 -8.130 -2.174 7.947 1.00 0.00 C ATOM 1072 NE2 HIS A 73 -8.462 -2.666 6.751 1.00 0.00 N ATOM 0 H HIS A 73 -7.412 1.833 6.374 1.00 0.00 H new ATOM 0 HA HIS A 73 -5.159 0.666 7.923 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.910 0.074 5.018 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -4.738 -0.778 6.004 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -6.695 -0.778 8.633 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -7.601 -2.207 4.782 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -8.610 -2.455 8.873 1.00 0.00 H new ATOM 1081 N PRO A 74 -4.556 3.159 6.972 1.00 0.00 N ATOM 1082 CA PRO A 74 -3.708 4.289 6.471 1.00 0.00 C ATOM 1083 C PRO A 74 -2.215 3.997 6.596 1.00 0.00 C ATOM 1084 O PRO A 74 -1.382 4.828 6.233 1.00 0.00 O ATOM 1085 CB PRO A 74 -4.115 5.457 7.380 1.00 0.00 C ATOM 1086 CG PRO A 74 -4.522 4.808 8.656 1.00 0.00 C ATOM 1087 CD PRO A 74 -5.200 3.503 8.252 1.00 0.00 C ATOM 0 HA PRO A 74 -3.863 4.483 5.410 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -3.287 6.149 7.533 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -4.934 6.031 6.947 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -3.658 4.620 9.294 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -5.203 5.445 9.221 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -5.048 2.724 8.999 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -6.277 3.629 8.138 1.00 0.00 H new ATOM 1095 N THR A 75 -1.886 2.816 7.111 1.00 0.00 N ATOM 1096 CA THR A 75 -0.483 2.415 7.286 1.00 0.00 C ATOM 1097 C THR A 75 -0.172 1.138 6.511 1.00 0.00 C ATOM 1098 O THR A 75 -1.048 0.305 6.277 1.00 0.00 O ATOM 1099 CB THR A 75 -0.191 2.175 8.772 1.00 0.00 C ATOM 1100 OG1 THR A 75 -1.198 1.335 9.321 1.00 0.00 O ATOM 1101 CG2 THR A 75 -0.163 3.508 9.520 1.00 0.00 C ATOM 0 H THR A 75 -2.565 2.118 7.415 1.00 0.00 H new ATOM 0 HA THR A 75 0.144 3.221 6.903 1.00 0.00 H new ATOM 0 HB THR A 75 0.781 1.692 8.875 1.00 0.00 H new ATOM 0 HG1 THR A 75 -1.012 1.179 10.270 1.00 0.00 H new ATOM 0 HG21 THR A 75 0.045 3.329 10.575 1.00 0.00 H new ATOM 0 HG22 THR A 75 0.615 4.145 9.100 1.00 0.00 H new ATOM 0 HG23 THR A 75 -1.129 4.002 9.419 1.00 0.00 H new ATOM 1109 N ILE A 76 1.089 1.003 6.115 1.00 0.00 N ATOM 1110 CA ILE A 76 1.536 -0.160 5.357 1.00 0.00 C ATOM 1111 C ILE A 76 1.324 -1.428 6.171 1.00 0.00 C ATOM 1112 O ILE A 76 0.939 -2.458 5.631 1.00 0.00 O ATOM 1113 CB ILE A 76 3.024 -0.024 4.982 1.00 0.00 C ATOM 1114 CG1 ILE A 76 3.177 1.143 3.994 1.00 0.00 C ATOM 1115 CG2 ILE A 76 3.534 -1.323 4.324 1.00 0.00 C ATOM 1116 CD1 ILE A 76 4.620 1.238 3.461 1.00 0.00 C ATOM 0 H ILE A 76 1.821 1.686 6.307 1.00 0.00 H new ATOM 0 HA ILE A 76 0.949 -0.219 4.441 1.00 0.00 H new ATOM 0 HB ILE A 76 3.608 0.162 5.883 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.487 1.010 3.161 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.906 2.077 4.486 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.587 -1.211 4.065 1.00 0.00 H new ATOM 0 HG22 ILE A 76 3.418 -2.153 5.021 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.958 -1.524 3.421 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.696 2.073 2.765 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.306 1.396 4.293 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.880 0.312 2.948 1.00 0.00 H new ATOM 1128 N ASP A 77 1.594 -1.355 7.466 1.00 0.00 N ATOM 1129 CA ASP A 77 1.437 -2.522 8.321 1.00 0.00 C ATOM 1130 C ASP A 77 0.043 -3.125 8.150 1.00 0.00 C ATOM 1131 O ASP A 77 -0.098 -4.320 7.875 1.00 0.00 O ATOM 1132 CB ASP A 77 1.640 -2.112 9.781 1.00 0.00 C ATOM 1133 CG ASP A 77 1.426 -3.311 10.695 1.00 0.00 C ATOM 1134 OD1 ASP A 77 2.237 -4.220 10.648 1.00 0.00 O ATOM 1135 OD2 ASP A 77 0.452 -3.304 11.430 1.00 0.00 O ATOM 0 H ASP A 77 1.918 -0.513 7.942 1.00 0.00 H new ATOM 0 HA ASP A 77 2.179 -3.269 8.039 1.00 0.00 H new ATOM 0 HB2 ASP A 77 2.646 -1.714 9.919 1.00 0.00 H new ATOM 0 HB3 ASP A 77 0.944 -1.316 10.044 1.00 0.00 H new ATOM 1140 N ALA A 78 -0.985 -2.297 8.299 1.00 0.00 N ATOM 1141 CA ALA A 78 -2.355 -2.772 8.148 1.00 0.00 C ATOM 1142 C ALA A 78 -2.607 -3.234 6.717 1.00 0.00 C ATOM 1143 O ALA A 78 -3.187 -4.297 6.488 1.00 0.00 O ATOM 1144 CB ALA A 78 -3.339 -1.657 8.509 1.00 0.00 C ATOM 0 H ALA A 78 -0.898 -1.305 8.522 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.503 -3.616 8.821 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -4.360 -2.021 8.393 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.178 -1.350 9.543 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.181 -0.804 7.849 1.00 0.00 H new ATOM 1150 N LEU A 79 -2.174 -2.422 5.758 1.00 0.00 N ATOM 1151 CA LEU A 79 -2.365 -2.744 4.348 1.00 0.00 C ATOM 1152 C LEU A 79 -1.645 -4.049 3.994 1.00 0.00 C ATOM 1153 O LEU A 79 -2.186 -4.890 3.274 1.00 0.00 O ATOM 1154 CB LEU A 79 -1.827 -1.577 3.488 1.00 0.00 C ATOM 1155 CG LEU A 79 -2.798 -1.231 2.334 1.00 0.00 C ATOM 1156 CD1 LEU A 79 -3.132 -2.491 1.500 1.00 0.00 C ATOM 1157 CD2 LEU A 79 -4.102 -0.606 2.903 1.00 0.00 C ATOM 0 H LEU A 79 -1.691 -1.540 5.930 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.427 -2.882 4.147 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.678 -0.699 4.116 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.853 -1.844 3.078 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.311 -0.507 1.681 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.816 -2.223 0.695 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.215 -2.900 1.076 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.601 -3.238 2.141 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.779 -0.366 2.083 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.583 -1.317 3.574 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.860 0.304 3.452 1.00 0.00 H new ATOM 1169 N SER A 80 -0.427 -4.205 4.501 1.00 0.00 N ATOM 1170 CA SER A 80 0.349 -5.406 4.227 1.00 0.00 C ATOM 1171 C SER A 80 -0.413 -6.625 4.713 1.00 0.00 C ATOM 1172 O SER A 80 -0.537 -7.616 3.998 1.00 0.00 O ATOM 1173 CB SER A 80 1.703 -5.326 4.937 1.00 0.00 C ATOM 1174 OG SER A 80 2.456 -4.247 4.397 1.00 0.00 O ATOM 0 H SER A 80 0.039 -3.522 5.098 1.00 0.00 H new ATOM 0 HA SER A 80 0.516 -5.488 3.153 1.00 0.00 H new ATOM 0 HB2 SER A 80 1.557 -5.182 6.008 1.00 0.00 H new ATOM 0 HB3 SER A 80 2.247 -6.262 4.813 1.00 0.00 H new ATOM 0 HG SER A 80 1.963 -3.409 4.523 1.00 0.00 H new ATOM 1180 N THR A 81 -0.922 -6.538 5.937 1.00 0.00 N ATOM 1181 CA THR A 81 -1.674 -7.647 6.506 1.00 0.00 C ATOM 1182 C THR A 81 -2.852 -7.976 5.595 1.00 0.00 C ATOM 1183 O THR A 81 -3.122 -9.140 5.292 1.00 0.00 O ATOM 1184 CB THR A 81 -2.192 -7.280 7.896 1.00 0.00 C ATOM 1185 OG1 THR A 81 -1.090 -7.050 8.763 1.00 0.00 O ATOM 1186 CG2 THR A 81 -3.048 -8.425 8.442 1.00 0.00 C ATOM 0 H THR A 81 -0.829 -5.724 6.545 1.00 0.00 H new ATOM 0 HA THR A 81 -1.018 -8.514 6.593 1.00 0.00 H new ATOM 0 HB THR A 81 -2.799 -6.377 7.833 1.00 0.00 H new ATOM 0 HG1 THR A 81 -0.688 -6.180 8.557 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.417 -8.163 9.433 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.892 -8.598 7.775 1.00 0.00 H new ATOM 0 HG23 THR A 81 -2.445 -9.331 8.507 1.00 0.00 H new ATOM 1194 N ALA A 82 -3.541 -6.941 5.143 1.00 0.00 N ATOM 1195 CA ALA A 82 -4.671 -7.135 4.254 1.00 0.00 C ATOM 1196 C ALA A 82 -4.207 -7.692 2.905 1.00 0.00 C ATOM 1197 O ALA A 82 -4.886 -8.533 2.304 1.00 0.00 O ATOM 1198 CB ALA A 82 -5.401 -5.809 4.030 1.00 0.00 C ATOM 0 H ALA A 82 -3.340 -5.968 5.375 1.00 0.00 H new ATOM 0 HA ALA A 82 -5.350 -7.850 4.719 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -6.247 -5.968 3.361 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.760 -5.426 4.985 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -4.716 -5.088 3.584 1.00 0.00 H new ATOM 1204 N LEU A 83 -3.058 -7.214 2.419 1.00 0.00 N ATOM 1205 CA LEU A 83 -2.550 -7.662 1.129 1.00 0.00 C ATOM 1206 C LEU A 83 -2.263 -9.160 1.145 1.00 0.00 C ATOM 1207 O LEU A 83 -2.720 -9.903 0.279 1.00 0.00 O ATOM 1208 CB LEU A 83 -1.257 -6.896 0.814 1.00 0.00 C ATOM 1209 CG LEU A 83 -1.118 -6.651 -0.698 1.00 0.00 C ATOM 1210 CD1 LEU A 83 -1.412 -7.915 -1.507 1.00 0.00 C ATOM 1211 CD2 LEU A 83 -2.028 -5.517 -1.146 1.00 0.00 C ATOM 0 H LEU A 83 -2.473 -6.527 2.894 1.00 0.00 H new ATOM 0 HA LEU A 83 -3.303 -7.468 0.366 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -1.257 -5.943 1.342 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.398 -7.461 1.175 1.00 0.00 H new ATOM 0 HG LEU A 83 -0.082 -6.368 -0.886 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.303 -7.700 -2.570 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.712 -8.700 -1.222 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -2.431 -8.247 -1.306 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -1.914 -5.361 -2.219 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -3.064 -5.773 -0.925 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -1.759 -4.604 -0.616 1.00 0.00 H new ATOM 1223 N VAL A 84 -1.492 -9.594 2.134 1.00 0.00 N ATOM 1224 CA VAL A 84 -1.148 -10.999 2.241 1.00 0.00 C ATOM 1225 C VAL A 84 -2.404 -11.811 2.505 1.00 0.00 C ATOM 1226 O VAL A 84 -2.494 -12.974 2.112 1.00 0.00 O ATOM 1227 CB VAL A 84 -0.111 -11.213 3.346 1.00 0.00 C ATOM 1228 CG1 VAL A 84 -0.700 -10.817 4.699 1.00 0.00 C ATOM 1229 CG2 VAL A 84 0.320 -12.686 3.379 1.00 0.00 C ATOM 0 H VAL A 84 -1.099 -8.999 2.863 1.00 0.00 H new ATOM 0 HA VAL A 84 -0.707 -11.335 1.303 1.00 0.00 H new ATOM 0 HB VAL A 84 0.759 -10.590 3.140 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.045 -10.973 5.480 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.988 -9.766 4.677 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.577 -11.430 4.907 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.058 -12.832 4.168 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.549 -13.315 3.574 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.757 -12.959 2.418 1.00 0.00 H new ATOM 1239 N ALA A 85 -3.389 -11.190 3.154 1.00 0.00 N ATOM 1240 CA ALA A 85 -4.637 -11.881 3.427 1.00 0.00 C ATOM 1241 C ALA A 85 -5.298 -12.275 2.112 1.00 0.00 C ATOM 1242 O ALA A 85 -5.835 -13.375 1.985 1.00 0.00 O ATOM 1243 CB ALA A 85 -5.572 -10.973 4.226 1.00 0.00 C ATOM 0 H ALA A 85 -3.345 -10.229 3.492 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.431 -12.778 4.011 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.506 -11.498 4.427 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.098 -10.702 5.169 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -5.780 -10.070 3.652 1.00 0.00 H new